N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide

C13H19NO3 — CID 61425097

IUPACN-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-2-7-14(8-9-15)13(17)12-5-3-11(10-16)4-6-12/h3-6,15-16H,2,7-10H2,1H3
InChIKeyRPXKBUNFUYUTMW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide

N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide (PubChem CID 61425097) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
PubChem CID61425097
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-2-7-14(8-9-15)13(17)12-5-3-11(10-16)4-6-12/h3-6,15-16H,2,7-10H2,1H3
InChIKeyRPXKBUNFUYUTMW-UHFFFAOYSA-N
XLogP1.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide (CID 61425097) is N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(CO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide?
The InChIKey is RPXKBUNFUYUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-7-14(8-9-15)13(17)12-5-3-11(10-16)4-6-12/h3-6,15-16H,2,7-10H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide?
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide is sourced from PubChem (CID 61425097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).